EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H33N7O2 |
| Net Charge | 0 |
| Average Mass | 463.586 |
| Monoisotopic Mass | 463.26957 |
| SMILES | CCc1ccc2nc(=O)c(C(c3nnnn3CC3CCCO3)N3CCN4CCCC4C3)cc2c1 |
| InChI | InChI=1S/C25H33N7O2/c1-2-17-7-8-22-18(13-17)14-21(25(33)26-22)23(31-11-10-30-9-3-5-19(30)15-31)24-27-28-29-32(24)16-20-6-4-12-34-20/h7-8,13-14,19-20,23H,2-6,9-12,15-16H2,1H3,(H,26,33) |
| InChIKey | RPSAIRVSTJFWPO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-ethyl-1H-quinolin-2-one (CHEBI:120880) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32323 | LINCS |